3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole

C21H24N6 — CID 50965339

IUPAC3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole
SMILESCc1ncc(-c2c(-c3ccccc3)ncn2CCCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C21H24N6/c1-14-18(15(2)26-25-14)10-7-11-27-13-23-20(17-8-5-4-6-9-17)21(27)19-12-22-16(3)24-19/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyCJOCYPHVBMBYGJ-UHFFFAOYSA-N
MW360.47 g/mol
LogP4.22
Rot. Bonds6

About 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole

3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole (PubChem CID 50965339) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole
PubChem CID50965339
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole
SMILESCc1ncc(-c2c(-c3ccccc3)ncn2CCCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C21H24N6/c1-14-18(15(2)26-25-14)10-7-11-27-13-23-20(17-8-5-4-6-9-17)21(27)19-12-22-16(3)24-19/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,22,24)(H,25,26)
InChIKeyCJOCYPHVBMBYGJ-UHFFFAOYSA-N
XLogP4.22
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazole
CID 95121676
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole
CID 50967045
1-(3-chloropropyl)-4-methyl-5-phenylimidazole
CID 10059954
4,5-diphenyl-1-propylimidazole
CID 14950648
4-[[5-(2-butyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]pyridine
CID 50963775
5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole
CID 95123103
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole
CID 50975704
3-[2-(4,5-diphenylimidazol-1-yl)ethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 1212037
2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole
CID 50984124
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole (CID 50965339) is 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole is Cc1ncc(-c2c(-c3ccccc3)ncn2CCCc2c(C)n[nH]c2C)[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole?
The InChIKey is CJOCYPHVBMBYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-14-18(15(2)26-25-14)10-7-11-27-13-23-20(17-8-5-4-6-9-17)21(27)19-12-22-16(3)24-19/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,22,24)(H,25,26).
What are the key properties of 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole?
3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole has a molecular weight of 360.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole is sourced from PubChem (CID 50965339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).